2-ethylsulfanyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide

Systemtic Name: 2-ethylsulfanyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide Openeye Name: 2-ethylsulfanyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide CAS Name: 2-(ethylthio)-N-[3-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide Traditional Name: 2-(ethylthio)-N-[3-[4-(4-methoxyphenyl)piperazino]sulfonylpropyl]benzamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H31N3O4S2/c1-3-31-22-8-5-4-7-21(22)23(27)24-13-6-18-32(28,29)26-16-14-25(15-17-26)19-9-11-20(30-2)12-10-19/h4-5,7-12H,3,6,13-18H2,1-2H3,(H,24,27)